(3-hydroxypiperidin-1-yl)-(2-phenylcyclopropyl)methanone

C15H19NO2 — CID 78971302

IUPAC(3-hydroxypiperidin-1-yl)-(2-phenylcyclopropyl)methanone
SMILESO=C(C1CC1c1ccccc1)N1CCCC(O)C1
InChIInChI=1S/C15H19NO2/c17-12-7-4-8-16(10-12)15(18)14-9-13(14)11-5-2-1-3-6-11/h1-3,5-6,12-14,17H,4,7-10H2
InChIKeyPCUSJFDALVKHCC-UHFFFAOYSA-N
MW245.32 g/mol
LogP1.77
Rot. Bonds2

About (3-hydroxypiperidin-1-yl)-(2-phenylcyclopropyl)methanone

(3-hydroxypiperidin-1-yl)-(2-phenylcyclopropyl)methanone (PubChem CID 78971302) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is (3-hydroxypiperidin-1-yl)-(2-phenylcyclopropyl)methanone.

Molecular Properties

Compound Name(3-hydroxypiperidin-1-yl)-(2-phenylcyclopropyl)methanone
PubChem CID78971302
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name(3-hydroxypiperidin-1-yl)-(2-phenylcyclopropyl)methanone
SMILESO=C(C1CC1c1ccccc1)N1CCCC(O)C1
InChIInChI=1S/C15H19NO2/c17-12-7-4-8-16(10-12)15(18)14-9-13(14)11-5-2-1-3-6-11/h1-3,5-6,12-14,17H,4,7-10H2
InChIKeyPCUSJFDALVKHCC-UHFFFAOYSA-N
XLogP1.77
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-hydroxypiperidin-1-yl)-(2-phenylcyclopropyl)methanone?
The IUPAC name of (3-hydroxypiperidin-1-yl)-(2-phenylcyclopropyl)methanone (CID 78971302) is (3-hydroxypiperidin-1-yl)-(2-phenylcyclopropyl)methanone.
What is the SMILES notation for (3-hydroxypiperidin-1-yl)-(2-phenylcyclopropyl)methanone?
The canonical SMILES for (3-hydroxypiperidin-1-yl)-(2-phenylcyclopropyl)methanone is O=C(C1CC1c1ccccc1)N1CCCC(O)C1.
What is the InChIKey of (3-hydroxypiperidin-1-yl)-(2-phenylcyclopropyl)methanone?
The InChIKey is PCUSJFDALVKHCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c17-12-7-4-8-16(10-12)15(18)14-9-13(14)11-5-2-1-3-6-11/h1-3,5-6,12-14,17H,4,7-10H2.
What are the key properties of (3-hydroxypiperidin-1-yl)-(2-phenylcyclopropyl)methanone?
(3-hydroxypiperidin-1-yl)-(2-phenylcyclopropyl)methanone has a molecular weight of 245.32 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxypiperidin-1-yl)-(2-phenylcyclopropyl)methanone is sourced from PubChem (CID 78971302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).